Geometry & MOs

Info

ID:	240913
PubChem CID:	93618177
Reduced:	SN2F3O4C12H13 (1)
Stoich.:	AB2C3D4E12F13 (1)
Weight, g/mol:	338.054813
ΔH_f, kcal/mol:	-294.12
Dipole, Da:	6.82
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1,1-dioxo-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1C(=O)NC2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations